(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid

C22H32O5 — CID 131840703

IUPAC(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
SMILESCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21-/m0/s1
InChIKeyBIHPRUQXOKWQGU-SQLZXENJSA-N
MW376.49 g/mol
LogP3.58
Rot. Bonds12

About (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid

(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid (PubChem CID 131840703) has the molecular formula C22H32O5 and a molecular weight of 376.49 g/mol. Its IUPAC name is (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
PubChem CID131840703
Molecular FormulaC22H32O5
Molecular Weight376.49 g/mol
Exact Mass376.22
IUPAC Name(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
SMILESCC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21-/m0/s1
InChIKeyBIHPRUQXOKWQGU-SQLZXENJSA-N
XLogP3.58
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid with MolForge

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Related Compounds

(4Z,7Z,10Z)-12-[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840705
(4Z,7Z,10Z)-12-[(1R,2S,3R)-3-hydroxy-2-[(E,3R)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840707
(Z)-8-[(1S,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]oct-6-enoic acid
CID 171116186
(Z)-6-[(1S,2S,3S)-3-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 131840669
(4Z,7R,8E)-7-hydroxy-9-[(1R,2R,5S)-5-hydroxy-2-[(2Z,5Z)-octa-2,5-dienyl]-3-oxocyclopentyl]nona-4,8-dienoic acid
CID 131840480
(Z)-6-[(1R,2R,3R)-3-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 131840676
(E,4S)-4-hydroxy-6-[(1S,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
CID 131840470
(4Z,7Z,10Z,13S,14E)-15-[(1R,2S,5S)-2-ethyl-5-hydroxy-3-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
CID 131840535
(E,4R)-4-hydroxy-6-[(1S,2R,5R)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
CID 131840462
(4Z,7Z,10Z)-12-[(1S,2S,5R)-5-hydroxy-2-[(E,3R)-3-hydroxypent-1-enyl]-3-oxocyclopentyl]dodeca-4,7,10-trienoic acid
CID 131840573
(E,5R)-5-hydroxy-7-[(1S,2S,5R)-5-hydroxy-2-[(Z)-oct-2-enyl]-3-oxocyclopentyl]hept-6-enoic acid
CID 131840029
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 9691

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid?
The IUPAC name of (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid (CID 131840703) is (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid.
What is the SMILES notation for (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid?
The canonical SMILES for (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid is CC[C@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\C/C=C\C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid?
The InChIKey is BIHPRUQXOKWQGU-SQLZXENJSA-N. The full InChI is InChI=1S/C22H32O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,7-10,14-15,17-19,21,23,25H,2,5-6,11-13,16H2,1H3,(H,26,27)/b4-3-,9-7-,10-8-,15-14+/t17-,18+,19-,21-/m0/s1.
What are the key properties of (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid?
(4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid has a molecular weight of 376.49 g/mol, XLogP of 3.58, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z)-12-[(1R,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]dodeca-4,7,10-trienoic acid is sourced from PubChem (CID 131840703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).